USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ -114:sc= 0.802 (180deg=-1.58) USER MOD Set 1.2: A 45 GLN :FLIP amide:sc= 0.787 F(o=-3.7,f=1.6) USER MOD Single : A 1 CYS N :NH3+ 145:sc= 0.465 (180deg=0.176) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.16 USER MOD Single : A 2 SER OG : rot 160:sc= 0.0848 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.451 K(o=-0.45,f=-3.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.0268 (180deg=-0.411) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= -0.266 (180deg=-1.15!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 20 SER OG : rot -35:sc= 0.0198 USER MOD Single : A 25 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.2) USER MOD Single : A 26 ASN :FLIP amide:sc= -4.28! C(o=-5.7!,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= -3.82 (180deg=-8.23!) USER MOD Single : A 35 ASN : amide:sc= -0.905 X(o=-0.9,f=-0.69) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -19:sc= 0.378 USER MOD Single : A 53 ASN :FLIP amide:sc= -2.19 F(o=-8.5!,f=-2.2) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.243 F(o=-2!,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 41.846 -12.383 -4.141 1.00 1.00 N ATOM 2 CA CYS A 1 42.162 -13.579 -3.310 1.00 1.00 C ATOM 3 C CYS A 1 41.125 -14.669 -3.567 1.00 1.00 C ATOM 4 O CYS A 1 40.027 -14.392 -4.050 1.00 1.00 O ATOM 5 CB CYS A 1 42.157 -13.184 -1.832 1.00 1.00 C ATOM 6 SG CYS A 1 43.352 -11.849 -1.564 1.00 1.00 S ATOM 0 H1 CYS A 1 42.094 -11.520 -3.616 1.00 1.00 H new ATOM 0 H2 CYS A 1 42.393 -12.420 -5.025 1.00 1.00 H new ATOM 0 H3 CYS A 1 40.830 -12.373 -4.363 1.00 1.00 H new ATOM 0 HA CYS A 1 43.148 -13.961 -3.575 1.00 1.00 H new ATOM 0 HB2 CYS A 1 41.160 -12.860 -1.534 1.00 1.00 H new ATOM 0 HB3 CYS A 1 42.411 -14.044 -1.213 1.00 1.00 H new ATOM 0 HG CYS A 1 43.349 -11.509 -0.309 1.00 1.00 H new ATOM 14 N SER A 2 41.484 -15.911 -3.243 1.00 1.00 N ATOM 15 CA SER A 2 40.579 -17.044 -3.444 1.00 1.00 C ATOM 16 C SER A 2 40.862 -18.147 -2.421 1.00 1.00 C ATOM 17 O SER A 2 42.008 -18.543 -2.220 1.00 1.00 O ATOM 18 CB SER A 2 40.757 -17.601 -4.857 1.00 1.00 C ATOM 19 OG SER A 2 42.119 -17.954 -5.055 1.00 1.00 O ATOM 0 H SER A 2 42.389 -16.158 -2.843 1.00 1.00 H new ATOM 0 HA SER A 2 39.554 -16.697 -3.312 1.00 1.00 H new ATOM 0 HB2 SER A 2 40.119 -18.473 -4.999 1.00 1.00 H new ATOM 0 HB3 SER A 2 40.451 -16.859 -5.594 1.00 1.00 H new ATOM 0 HG SER A 2 42.188 -18.587 -5.800 1.00 1.00 H new ATOM 25 N LYS A 3 39.809 -18.644 -1.778 1.00 1.00 N ATOM 26 CA LYS A 3 39.960 -19.702 -0.779 1.00 1.00 C ATOM 27 C LYS A 3 41.007 -19.315 0.259 1.00 1.00 C ATOM 28 O LYS A 3 41.773 -20.157 0.728 1.00 1.00 O ATOM 29 CB LYS A 3 40.372 -21.012 -1.453 1.00 1.00 C ATOM 30 CG LYS A 3 39.270 -21.460 -2.422 1.00 1.00 C ATOM 31 CD LYS A 3 39.471 -22.940 -2.802 1.00 1.00 C ATOM 32 CE LYS A 3 38.808 -23.856 -1.757 1.00 1.00 C ATOM 33 NZ LYS A 3 37.389 -24.095 -2.142 1.00 1.00 N ATOM 0 H LYS A 3 38.848 -18.335 -1.928 1.00 1.00 H new ATOM 0 HA LYS A 3 39.000 -19.838 -0.281 1.00 1.00 H new ATOM 0 HB2 LYS A 3 41.310 -20.877 -1.991 1.00 1.00 H new ATOM 0 HB3 LYS A 3 40.544 -21.782 -0.701 1.00 1.00 H new ATOM 0 HG2 LYS A 3 38.292 -21.324 -1.961 1.00 1.00 H new ATOM 0 HG3 LYS A 3 39.289 -20.840 -3.318 1.00 1.00 H new ATOM 0 HD2 LYS A 3 39.043 -23.131 -3.786 1.00 1.00 H new ATOM 0 HD3 LYS A 3 40.536 -23.164 -2.868 1.00 1.00 H new ATOM 0 HE2 LYS A 3 39.344 -24.803 -1.694 1.00 1.00 H new ATOM 0 HE3 LYS A 3 38.857 -23.396 -0.770 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 36.938 -24.714 -1.438 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 36.882 -23.188 -2.181 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 37.355 -24.551 -3.076 1.00 1.00 H new ATOM 47 N ASN A 4 41.026 -18.037 0.618 1.00 1.00 N ATOM 48 CA ASN A 4 41.980 -17.550 1.610 1.00 1.00 C ATOM 49 C ASN A 4 43.413 -17.866 1.185 1.00 1.00 C ATOM 50 O ASN A 4 44.044 -18.765 1.738 1.00 1.00 O ATOM 51 CB ASN A 4 41.697 -18.206 2.972 1.00 1.00 C ATOM 52 CG ASN A 4 42.334 -17.391 4.095 1.00 1.00 C ATOM 53 OD1 ASN A 4 43.197 -16.550 3.842 1.00 1.00 O ATOM 54 ND2 ASN A 4 41.956 -17.590 5.328 1.00 1.00 N ATOM 0 H ASN A 4 40.400 -17.325 0.243 1.00 1.00 H new ATOM 0 HA ASN A 4 41.868 -16.469 1.691 1.00 1.00 H new ATOM 0 HB2 ASN A 4 40.621 -18.279 3.132 1.00 1.00 H new ATOM 0 HB3 ASN A 4 42.091 -19.222 2.983 1.00 1.00 H new ATOM 0 HD21 ASN A 4 42.376 -17.048 6.084 1.00 1.00 H new ATOM 0 HD22 ASN A 4 41.241 -18.287 5.536 1.00 1.00 H new ATOM 61 N ARG A 5 43.923 -17.133 0.196 1.00 1.00 N ATOM 62 CA ARG A 5 45.293 -17.362 -0.261 1.00 1.00 C ATOM 63 C ARG A 5 46.297 -16.982 0.823 1.00 1.00 C ATOM 64 O ARG A 5 47.277 -17.692 1.029 1.00 1.00 O ATOM 65 CB ARG A 5 45.602 -16.566 -1.534 1.00 1.00 C ATOM 66 CG ARG A 5 44.856 -17.172 -2.720 1.00 1.00 C ATOM 67 CD ARG A 5 45.218 -16.410 -3.996 1.00 1.00 C ATOM 68 NE ARG A 5 44.515 -16.979 -5.141 1.00 1.00 N ATOM 69 CZ ARG A 5 44.602 -16.429 -6.348 1.00 1.00 C ATOM 70 NH1 ARG A 5 45.319 -15.352 -6.527 1.00 1.00 N ATOM 71 NH2 ARG A 5 43.971 -16.965 -7.357 1.00 1.00 N ATOM 0 H ARG A 5 43.422 -16.392 -0.295 1.00 1.00 H new ATOM 0 HA ARG A 5 45.382 -18.426 -0.482 1.00 1.00 H new ATOM 0 HB2 ARG A 5 45.308 -15.525 -1.402 1.00 1.00 H new ATOM 0 HB3 ARG A 5 46.675 -16.573 -1.726 1.00 1.00 H new ATOM 0 HG2 ARG A 5 45.116 -18.225 -2.827 1.00 1.00 H new ATOM 0 HG3 ARG A 5 43.781 -17.125 -2.549 1.00 1.00 H new ATOM 0 HD2 ARG A 5 44.956 -15.358 -3.886 1.00 1.00 H new ATOM 0 HD3 ARG A 5 46.294 -16.455 -4.162 1.00 1.00 H new ATOM 0 HE ARG A 5 43.945 -17.815 -5.013 1.00 1.00 H new ATOM 0 HH11 ARG A 5 45.813 -14.932 -5.740 1.00 1.00 H new ATOM 0 HH12 ARG A 5 45.385 -14.931 -7.454 1.00 1.00 H new ATOM 0 HH21 ARG A 5 43.411 -17.806 -7.219 1.00 1.00 H new ATOM 0 HH22 ARG A 5 44.038 -16.543 -8.283 1.00 1.00 H new ATOM 85 N LYS A 6 46.039 -15.854 1.504 1.00 1.00 N ATOM 86 CA LYS A 6 46.932 -15.359 2.576 1.00 1.00 C ATOM 87 C LYS A 6 48.390 -15.718 2.290 1.00 1.00 C ATOM 88 O LYS A 6 48.812 -16.850 2.509 1.00 1.00 O ATOM 89 CB LYS A 6 46.513 -15.935 3.941 1.00 1.00 C ATOM 90 CG LYS A 6 46.109 -17.400 3.780 1.00 1.00 C ATOM 91 CD LYS A 6 45.747 -18.004 5.138 1.00 1.00 C ATOM 92 CE LYS A 6 45.326 -19.463 4.937 1.00 1.00 C ATOM 93 NZ LYS A 6 44.960 -20.067 6.249 1.00 1.00 N ATOM 0 H LYS A 6 45.223 -15.266 1.336 1.00 1.00 H new ATOM 0 HA LYS A 6 46.842 -14.273 2.604 1.00 1.00 H new ATOM 0 HB2 LYS A 6 47.336 -15.851 4.650 1.00 1.00 H new ATOM 0 HB3 LYS A 6 45.681 -15.361 4.349 1.00 1.00 H new ATOM 0 HG2 LYS A 6 45.259 -17.477 3.102 1.00 1.00 H new ATOM 0 HG3 LYS A 6 46.927 -17.963 3.331 1.00 1.00 H new ATOM 0 HD2 LYS A 6 46.600 -17.948 5.815 1.00 1.00 H new ATOM 0 HD3 LYS A 6 44.937 -17.438 5.598 1.00 1.00 H new ATOM 0 HE2 LYS A 6 44.479 -19.516 4.253 1.00 1.00 H new ATOM 0 HE3 LYS A 6 46.140 -20.027 4.481 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 44.675 -21.057 6.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 45.779 -20.030 6.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 44.170 -19.536 6.667 1.00 1.00 H new ATOM 107 N ALA A 7 49.152 -14.744 1.797 1.00 1.00 N ATOM 108 CA ALA A 7 50.571 -14.978 1.474 1.00 1.00 C ATOM 109 C ALA A 7 51.238 -15.853 2.536 1.00 1.00 C ATOM 110 O ALA A 7 52.285 -16.448 2.286 1.00 1.00 O ATOM 111 CB ALA A 7 51.350 -13.656 1.365 1.00 1.00 C ATOM 0 H ALA A 7 48.824 -13.796 1.612 1.00 1.00 H new ATOM 0 HA ALA A 7 50.594 -15.488 0.511 1.00 1.00 H new ATOM 0 HB1 ALA A 7 52.392 -13.867 1.126 1.00 1.00 H new ATOM 0 HB2 ALA A 7 50.914 -13.041 0.578 1.00 1.00 H new ATOM 0 HB3 ALA A 7 51.296 -13.123 2.314 1.00 1.00 H new ATOM 117 N LYS A 8 50.617 -15.930 3.711 1.00 1.00 N ATOM 118 CA LYS A 8 51.147 -16.743 4.810 1.00 1.00 C ATOM 119 C LYS A 8 52.301 -16.025 5.502 1.00 1.00 C ATOM 120 O LYS A 8 52.553 -16.247 6.685 1.00 1.00 O ATOM 121 CB LYS A 8 51.621 -18.113 4.281 1.00 1.00 C ATOM 122 CG LYS A 8 51.564 -19.161 5.400 1.00 1.00 C ATOM 123 CD LYS A 8 51.907 -20.537 4.828 1.00 1.00 C ATOM 124 CE LYS A 8 51.816 -21.586 5.938 1.00 1.00 C ATOM 125 NZ LYS A 8 52.869 -21.320 6.958 1.00 1.00 N ATOM 0 H LYS A 8 49.748 -15.442 3.929 1.00 1.00 H new ATOM 0 HA LYS A 8 50.349 -16.899 5.536 1.00 1.00 H new ATOM 0 HB2 LYS A 8 50.993 -18.426 3.447 1.00 1.00 H new ATOM 0 HB3 LYS A 8 52.639 -18.032 3.900 1.00 1.00 H new ATOM 0 HG2 LYS A 8 52.265 -18.900 6.193 1.00 1.00 H new ATOM 0 HG3 LYS A 8 50.570 -19.178 5.846 1.00 1.00 H new ATOM 0 HD2 LYS A 8 51.221 -20.788 4.019 1.00 1.00 H new ATOM 0 HD3 LYS A 8 52.911 -20.527 4.404 1.00 1.00 H new ATOM 0 HE2 LYS A 8 50.830 -21.557 6.401 1.00 1.00 H new ATOM 0 HE3 LYS A 8 51.943 -22.585 5.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 53.028 -22.177 7.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 53.754 -21.051 6.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 52.562 -20.546 7.581 1.00 1.00 H new ATOM 139 N ALA A 9 52.991 -15.164 4.761 1.00 1.00 N ATOM 140 CA ALA A 9 54.113 -14.415 5.317 1.00 1.00 C ATOM 141 C ALA A 9 54.919 -13.754 4.198 1.00 1.00 C ATOM 142 O ALA A 9 55.420 -12.644 4.365 1.00 1.00 O ATOM 143 CB ALA A 9 55.020 -15.350 6.142 1.00 1.00 C ATOM 0 H ALA A 9 52.795 -14.968 3.779 1.00 1.00 H new ATOM 0 HA ALA A 9 53.721 -13.636 5.971 1.00 1.00 H new ATOM 0 HB1 ALA A 9 55.854 -14.780 6.552 1.00 1.00 H new ATOM 0 HB2 ALA A 9 54.445 -15.789 6.957 1.00 1.00 H new ATOM 0 HB3 ALA A 9 55.404 -16.144 5.501 1.00 1.00 H new ATOM 149 N LYS A 10 55.044 -14.448 3.064 1.00 1.00 N ATOM 150 CA LYS A 10 55.796 -13.929 1.920 1.00 1.00 C ATOM 151 C LYS A 10 55.917 -14.997 0.817 1.00 1.00 C ATOM 152 O LYS A 10 55.598 -14.730 -0.341 1.00 1.00 O ATOM 153 CB LYS A 10 57.210 -13.453 2.365 1.00 1.00 C ATOM 154 CG LYS A 10 57.345 -11.927 2.193 1.00 1.00 C ATOM 155 CD LYS A 10 58.759 -11.468 2.597 1.00 1.00 C ATOM 156 CE LYS A 10 59.707 -11.564 1.397 1.00 1.00 C ATOM 157 NZ LYS A 10 59.239 -10.641 0.324 1.00 1.00 N ATOM 0 H LYS A 10 54.634 -15.370 2.914 1.00 1.00 H new ATOM 0 HA LYS A 10 55.252 -13.075 1.516 1.00 1.00 H new ATOM 0 HB2 LYS A 10 57.380 -13.724 3.407 1.00 1.00 H new ATOM 0 HB3 LYS A 10 57.973 -13.960 1.775 1.00 1.00 H new ATOM 0 HG2 LYS A 10 57.148 -11.652 1.157 1.00 1.00 H new ATOM 0 HG3 LYS A 10 56.601 -11.418 2.805 1.00 1.00 H new ATOM 0 HD2 LYS A 10 58.726 -10.442 2.963 1.00 1.00 H new ATOM 0 HD3 LYS A 10 59.131 -12.086 3.414 1.00 1.00 H new ATOM 0 HE2 LYS A 10 60.722 -11.304 1.699 1.00 1.00 H new ATOM 0 HE3 LYS A 10 59.738 -12.588 1.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 60.057 -10.294 -0.217 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 58.593 -11.149 -0.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 58.741 -9.835 0.752 1.00 1.00 H new ATOM 171 N PRO A 11 56.386 -16.181 1.142 1.00 1.00 N ATOM 172 CA PRO A 11 56.562 -17.279 0.146 1.00 1.00 C ATOM 173 C PRO A 11 55.476 -17.315 -0.916 1.00 1.00 C ATOM 174 O PRO A 11 54.488 -18.039 -0.800 1.00 1.00 O ATOM 175 CB PRO A 11 56.546 -18.531 1.008 1.00 1.00 C ATOM 176 CG PRO A 11 57.171 -18.104 2.302 1.00 1.00 C ATOM 177 CD PRO A 11 56.801 -16.621 2.494 1.00 1.00 C ATOM 0 HA PRO A 11 57.477 -17.158 -0.435 1.00 1.00 H new ATOM 0 HB2 PRO A 11 55.530 -18.896 1.159 1.00 1.00 H new ATOM 0 HB3 PRO A 11 57.109 -19.340 0.543 1.00 1.00 H new ATOM 0 HG2 PRO A 11 56.800 -18.707 3.130 1.00 1.00 H new ATOM 0 HG3 PRO A 11 58.253 -18.234 2.272 1.00 1.00 H new ATOM 0 HD2 PRO A 11 55.996 -16.500 3.218 1.00 1.00 H new ATOM 0 HD3 PRO A 11 57.649 -16.042 2.860 1.00 1.00 H new ATOM 185 N VAL A 12 55.697 -16.534 -1.959 1.00 1.00 N ATOM 186 CA VAL A 12 54.763 -16.472 -3.077 1.00 1.00 C ATOM 187 C VAL A 12 54.833 -17.754 -3.892 1.00 1.00 C ATOM 188 O VAL A 12 53.891 -18.107 -4.601 1.00 1.00 O ATOM 189 CB VAL A 12 55.079 -15.274 -3.974 1.00 1.00 C ATOM 190 CG1 VAL A 12 53.894 -15.002 -4.904 1.00 1.00 C ATOM 191 CG2 VAL A 12 55.339 -14.045 -3.102 1.00 1.00 C ATOM 0 H VAL A 12 56.515 -15.932 -2.058 1.00 1.00 H new ATOM 0 HA VAL A 12 53.756 -16.357 -2.676 1.00 1.00 H new ATOM 0 HB VAL A 12 55.964 -15.490 -4.573 1.00 1.00 H new ATOM 0 HG11 VAL A 12 54.121 -14.148 -5.542 1.00 1.00 H new ATOM 0 HG12 VAL A 12 53.709 -15.879 -5.524 1.00 1.00 H new ATOM 0 HG13 VAL A 12 53.007 -14.785 -4.309 1.00 1.00 H new ATOM 0 HG21 VAL A 12 55.565 -13.189 -3.738 1.00 1.00 H new ATOM 0 HG22 VAL A 12 54.454 -13.829 -2.504 1.00 1.00 H new ATOM 0 HG23 VAL A 12 56.184 -14.239 -2.442 1.00 1.00 H new ATOM 201 N THR A 13 55.951 -18.450 -3.770 1.00 1.00 N ATOM 202 CA THR A 13 56.146 -19.700 -4.481 1.00 1.00 C ATOM 203 C THR A 13 54.966 -20.604 -4.203 1.00 1.00 C ATOM 204 O THR A 13 54.676 -21.530 -4.962 1.00 1.00 O ATOM 205 CB THR A 13 57.439 -20.377 -4.006 1.00 1.00 C ATOM 206 OG1 THR A 13 57.601 -20.154 -2.613 1.00 1.00 O ATOM 207 CG2 THR A 13 58.643 -19.802 -4.759 1.00 1.00 C ATOM 0 H THR A 13 56.737 -18.169 -3.184 1.00 1.00 H new ATOM 0 HA THR A 13 56.225 -19.507 -5.551 1.00 1.00 H new ATOM 0 HB THR A 13 57.376 -21.447 -4.204 1.00 1.00 H new ATOM 0 HG1 THR A 13 58.425 -20.587 -2.306 1.00 1.00 H new ATOM 0 HG21 THR A 13 59.555 -20.290 -4.414 1.00 1.00 H new ATOM 0 HG22 THR A 13 58.521 -19.976 -5.828 1.00 1.00 H new ATOM 0 HG23 THR A 13 58.711 -18.730 -4.572 1.00 1.00 H new ATOM 215 N ARG A 14 54.286 -20.323 -3.102 1.00 1.00 N ATOM 216 CA ARG A 14 53.122 -21.125 -2.724 1.00 1.00 C ATOM 217 C ARG A 14 52.251 -21.410 -3.953 1.00 1.00 C ATOM 218 O ARG A 14 51.661 -22.485 -4.069 1.00 1.00 O ATOM 219 CB ARG A 14 52.293 -20.420 -1.644 1.00 1.00 C ATOM 220 CG ARG A 14 51.831 -19.053 -2.148 1.00 1.00 C ATOM 221 CD ARG A 14 50.956 -18.399 -1.083 1.00 1.00 C ATOM 222 NE ARG A 14 49.749 -19.202 -0.870 1.00 1.00 N ATOM 223 CZ ARG A 14 49.203 -19.349 0.338 1.00 1.00 C ATOM 224 NH1 ARG A 14 49.717 -18.746 1.374 1.00 1.00 N ATOM 225 NH2 ARG A 14 48.142 -20.095 0.485 1.00 1.00 N ATOM 0 H ARG A 14 54.510 -19.561 -2.462 1.00 1.00 H new ATOM 0 HA ARG A 14 53.482 -22.069 -2.316 1.00 1.00 H new ATOM 0 HB2 ARG A 14 51.429 -21.031 -1.381 1.00 1.00 H new ATOM 0 HB3 ARG A 14 52.887 -20.301 -0.738 1.00 1.00 H new ATOM 0 HG2 ARG A 14 52.692 -18.422 -2.367 1.00 1.00 H new ATOM 0 HG3 ARG A 14 51.273 -19.164 -3.078 1.00 1.00 H new ATOM 0 HD2 ARG A 14 51.511 -18.306 -0.150 1.00 1.00 H new ATOM 0 HD3 ARG A 14 50.683 -17.390 -1.393 1.00 1.00 H new ATOM 0 HE ARG A 14 49.313 -19.662 -1.669 1.00 1.00 H new ATOM 0 HH11 ARG A 14 50.542 -18.157 1.264 1.00 1.00 H new ATOM 0 HH12 ARG A 14 49.294 -18.863 2.294 1.00 1.00 H new ATOM 0 HH21 ARG A 14 47.732 -20.564 -0.323 1.00 1.00 H new ATOM 0 HH22 ARG A 14 47.723 -20.209 1.408 1.00 1.00 H new ATOM 239 N GLY A 15 52.184 -20.444 -4.874 1.00 1.00 N ATOM 240 CA GLY A 15 51.390 -20.613 -6.103 1.00 1.00 C ATOM 241 C GLY A 15 50.001 -20.000 -5.950 1.00 1.00 C ATOM 242 O GLY A 15 49.126 -20.580 -5.309 1.00 1.00 O ATOM 0 H GLY A 15 52.662 -19.546 -4.798 1.00 1.00 H new ATOM 0 HA2 GLY A 15 51.907 -20.145 -6.941 1.00 1.00 H new ATOM 0 HA3 GLY A 15 51.299 -21.674 -6.337 1.00 1.00 H new ATOM 246 N THR A 16 49.807 -18.824 -6.540 1.00 1.00 N ATOM 247 CA THR A 16 48.518 -18.142 -6.458 1.00 1.00 C ATOM 248 C THR A 16 47.445 -18.920 -7.218 1.00 1.00 C ATOM 249 O THR A 16 46.368 -19.192 -6.687 1.00 1.00 O ATOM 250 CB THR A 16 48.625 -16.703 -7.021 1.00 1.00 C ATOM 251 OG1 THR A 16 47.500 -16.423 -7.844 1.00 1.00 O ATOM 252 CG2 THR A 16 49.903 -16.554 -7.853 1.00 1.00 C ATOM 0 H THR A 16 50.518 -18.327 -7.076 1.00 1.00 H new ATOM 0 HA THR A 16 48.232 -18.088 -5.407 1.00 1.00 H new ATOM 0 HB THR A 16 48.654 -16.004 -6.185 1.00 1.00 H new ATOM 0 HG1 THR A 16 47.571 -15.511 -8.196 1.00 1.00 H new ATOM 0 HG21 THR A 16 49.967 -15.538 -8.243 1.00 1.00 H new ATOM 0 HG22 THR A 16 50.771 -16.757 -7.226 1.00 1.00 H new ATOM 0 HG23 THR A 16 49.882 -17.261 -8.683 1.00 1.00 H new ATOM 260 N GLY A 17 47.742 -19.269 -8.465 1.00 1.00 N ATOM 261 CA GLY A 17 46.781 -20.009 -9.286 1.00 1.00 C ATOM 262 C GLY A 17 45.666 -19.082 -9.766 1.00 1.00 C ATOM 263 O GLY A 17 44.937 -18.508 -8.957 1.00 1.00 O ATOM 0 H GLY A 17 48.626 -19.057 -8.927 1.00 1.00 H new ATOM 0 HA2 GLY A 17 47.289 -20.451 -10.143 1.00 1.00 H new ATOM 0 HA3 GLY A 17 46.356 -20.830 -8.709 1.00 1.00 H new ATOM 267 N ALA A 18 45.533 -18.938 -11.087 1.00 1.00 N ATOM 268 CA ALA A 18 44.498 -18.076 -11.659 1.00 1.00 C ATOM 269 C ALA A 18 43.296 -18.910 -12.088 1.00 1.00 C ATOM 270 O ALA A 18 42.869 -18.858 -13.241 1.00 1.00 O ATOM 271 CB ALA A 18 45.053 -17.332 -12.872 1.00 1.00 C ATOM 0 H ALA A 18 46.125 -19.404 -11.775 1.00 1.00 H new ATOM 0 HA ALA A 18 44.186 -17.358 -10.901 1.00 1.00 H new ATOM 0 HB1 ALA A 18 44.277 -16.692 -13.293 1.00 1.00 H new ATOM 0 HB2 ALA A 18 45.902 -16.720 -12.567 1.00 1.00 H new ATOM 0 HB3 ALA A 18 45.377 -18.052 -13.624 1.00 1.00 H new ATOM 277 N GLY A 19 42.757 -19.684 -11.147 1.00 1.00 N ATOM 278 CA GLY A 19 41.601 -20.542 -11.422 1.00 1.00 C ATOM 279 C GLY A 19 40.609 -20.502 -10.266 1.00 1.00 C ATOM 280 O GLY A 19 40.384 -21.506 -9.591 1.00 1.00 O ATOM 0 H GLY A 19 43.100 -19.736 -10.188 1.00 1.00 H new ATOM 0 HA2 GLY A 19 41.111 -20.216 -12.339 1.00 1.00 H new ATOM 0 HA3 GLY A 19 41.934 -21.567 -11.586 1.00 1.00 H new ATOM 284 N SER A 20 40.015 -19.334 -10.056 1.00 1.00 N ATOM 285 CA SER A 20 39.038 -19.151 -8.991 1.00 1.00 C ATOM 286 C SER A 20 38.338 -17.811 -9.161 1.00 1.00 C ATOM 287 O SER A 20 38.728 -16.809 -8.563 1.00 1.00 O ATOM 288 CB SER A 20 39.718 -19.198 -7.625 1.00 1.00 C ATOM 289 OG SER A 20 40.567 -20.336 -7.554 1.00 1.00 O ATOM 0 H SER A 20 40.194 -18.497 -10.611 1.00 1.00 H new ATOM 0 HA SER A 20 38.307 -19.958 -9.049 1.00 1.00 H new ATOM 0 HB2 SER A 20 40.297 -18.289 -7.464 1.00 1.00 H new ATOM 0 HB3 SER A 20 38.968 -19.241 -6.835 1.00 1.00 H new ATOM 0 HG SER A 20 40.162 -21.078 -8.050 1.00 1.00 H new ATOM 295 N ARG A 21 37.310 -17.804 -9.994 1.00 1.00 N ATOM 296 CA ARG A 21 36.555 -16.583 -10.262 1.00 1.00 C ATOM 297 C ARG A 21 35.707 -16.210 -9.031 1.00 1.00 C ATOM 298 O ARG A 21 35.733 -16.914 -8.024 1.00 1.00 O ATOM 299 CB ARG A 21 35.647 -16.776 -11.504 1.00 1.00 C ATOM 300 CG ARG A 21 36.154 -17.944 -12.369 1.00 1.00 C ATOM 301 CD ARG A 21 37.650 -17.767 -12.711 1.00 1.00 C ATOM 302 NE ARG A 21 37.875 -18.062 -14.123 1.00 1.00 N ATOM 303 CZ ARG A 21 39.073 -17.904 -14.679 1.00 1.00 C ATOM 304 NH1 ARG A 21 40.081 -17.489 -13.960 1.00 1.00 N ATOM 305 NH2 ARG A 21 39.241 -18.166 -15.945 1.00 1.00 N ATOM 0 H ARG A 21 36.977 -18.626 -10.497 1.00 1.00 H new ATOM 0 HA ARG A 21 37.254 -15.772 -10.467 1.00 1.00 H new ATOM 0 HB2 ARG A 21 34.623 -16.970 -11.186 1.00 1.00 H new ATOM 0 HB3 ARG A 21 35.629 -15.860 -12.094 1.00 1.00 H new ATOM 0 HG2 ARG A 21 36.007 -18.885 -11.839 1.00 1.00 H new ATOM 0 HG3 ARG A 21 35.571 -18.001 -13.288 1.00 1.00 H new ATOM 0 HD2 ARG A 21 37.965 -16.747 -12.489 1.00 1.00 H new ATOM 0 HD3 ARG A 21 38.255 -18.429 -12.091 1.00 1.00 H new ATOM 0 HE ARG A 21 37.099 -18.396 -14.694 1.00 1.00 H new ATOM 0 HH11 ARG A 21 39.951 -17.285 -12.969 1.00 1.00 H new ATOM 0 HH12 ARG A 21 40.998 -17.369 -14.389 1.00 1.00 H new ATOM 0 HH21 ARG A 21 38.455 -18.491 -16.507 1.00 1.00 H new ATOM 0 HH22 ARG A 21 40.159 -18.045 -16.373 1.00 1.00 H new ATOM 319 N PRO A 22 34.954 -15.132 -9.095 1.00 1.00 N ATOM 320 CA PRO A 22 34.082 -14.683 -7.959 1.00 1.00 C ATOM 321 C PRO A 22 33.002 -15.708 -7.606 1.00 1.00 C ATOM 322 O PRO A 22 32.294 -15.556 -6.612 1.00 1.00 O ATOM 323 CB PRO A 22 33.464 -13.361 -8.461 1.00 1.00 C ATOM 324 CG PRO A 22 34.352 -12.921 -9.580 1.00 1.00 C ATOM 325 CD PRO A 22 34.849 -14.205 -10.234 1.00 1.00 C ATOM 0 HA PRO A 22 34.651 -14.561 -7.037 1.00 1.00 H new ATOM 0 HB2 PRO A 22 32.440 -13.509 -8.804 1.00 1.00 H new ATOM 0 HB3 PRO A 22 33.429 -12.615 -7.667 1.00 1.00 H new ATOM 0 HG2 PRO A 22 33.807 -12.303 -10.293 1.00 1.00 H new ATOM 0 HG3 PRO A 22 35.184 -12.322 -9.209 1.00 1.00 H new ATOM 0 HD2 PRO A 22 34.153 -14.570 -10.989 1.00 1.00 H new ATOM 0 HD3 PRO A 22 35.810 -14.061 -10.728 1.00 1.00 H new ATOM 333 N ARG A 23 32.884 -16.732 -8.441 1.00 1.00 N ATOM 334 CA ARG A 23 31.887 -17.797 -8.238 1.00 1.00 C ATOM 335 C ARG A 23 30.476 -17.228 -8.266 1.00 1.00 C ATOM 336 O ARG A 23 30.180 -16.257 -7.577 1.00 1.00 O ATOM 337 CB ARG A 23 32.126 -18.505 -6.895 1.00 1.00 C ATOM 338 CG ARG A 23 33.446 -19.302 -6.933 1.00 1.00 C ATOM 339 CD ARG A 23 33.195 -20.715 -7.473 1.00 1.00 C ATOM 340 NE ARG A 23 32.342 -21.454 -6.548 1.00 1.00 N ATOM 341 CZ ARG A 23 32.054 -22.736 -6.746 1.00 1.00 C ATOM 342 NH1 ARG A 23 32.557 -23.370 -7.770 1.00 1.00 N ATOM 343 NH2 ARG A 23 31.271 -23.363 -5.911 1.00 1.00 N ATOM 0 H ARG A 23 33.464 -16.856 -9.271 1.00 1.00 H new ATOM 0 HA ARG A 23 31.994 -18.517 -9.050 1.00 1.00 H new ATOM 0 HB2 ARG A 23 32.161 -17.770 -6.091 1.00 1.00 H new ATOM 0 HB3 ARG A 23 31.295 -19.176 -6.678 1.00 1.00 H new ATOM 0 HG2 ARG A 23 34.172 -18.788 -7.563 1.00 1.00 H new ATOM 0 HG3 ARG A 23 33.875 -19.358 -5.932 1.00 1.00 H new ATOM 0 HD2 ARG A 23 32.722 -20.661 -8.454 1.00 1.00 H new ATOM 0 HD3 ARG A 23 34.143 -21.237 -7.605 1.00 1.00 H new ATOM 0 HE ARG A 23 31.959 -20.976 -5.732 1.00 1.00 H new ATOM 0 HH11 ARG A 23 33.173 -22.881 -8.420 1.00 1.00 H new ATOM 0 HH12 ARG A 23 32.335 -24.354 -7.920 1.00 1.00 H new ATOM 0 HH21 ARG A 23 30.881 -22.869 -5.108 1.00 1.00 H new ATOM 0 HH22 ARG A 23 31.049 -24.347 -6.061 1.00 1.00 H new ATOM 357 N GLY A 24 29.614 -17.844 -9.073 1.00 1.00 N ATOM 358 CA GLY A 24 28.222 -17.391 -9.196 1.00 1.00 C ATOM 359 C GLY A 24 27.311 -18.096 -8.192 1.00 1.00 C ATOM 360 O GLY A 24 26.104 -18.198 -8.406 1.00 1.00 O ATOM 0 H GLY A 24 29.848 -18.652 -9.649 1.00 1.00 H new ATOM 0 HA2 GLY A 24 28.174 -16.314 -9.038 1.00 1.00 H new ATOM 0 HA3 GLY A 24 27.865 -17.581 -10.208 1.00 1.00 H new ATOM 364 N GLN A 25 27.889 -18.582 -7.098 1.00 1.00 N ATOM 365 CA GLN A 25 27.101 -19.269 -6.079 1.00 1.00 C ATOM 366 C GLN A 25 26.055 -18.330 -5.484 1.00 1.00 C ATOM 367 O GLN A 25 26.277 -17.728 -4.433 1.00 1.00 O ATOM 368 CB GLN A 25 28.012 -19.768 -4.951 1.00 1.00 C ATOM 369 CG GLN A 25 28.935 -18.618 -4.458 1.00 1.00 C ATOM 370 CD GLN A 25 28.934 -18.540 -2.930 1.00 1.00 C ATOM 371 OE1 GLN A 25 28.937 -19.569 -2.253 1.00 1.00 O ATOM 372 NE2 GLN A 25 28.924 -17.372 -2.348 1.00 1.00 N ATOM 0 H GLN A 25 28.886 -18.515 -6.895 1.00 1.00 H new ATOM 0 HA GLN A 25 26.602 -20.114 -6.554 1.00 1.00 H new ATOM 0 HB2 GLN A 25 27.408 -20.140 -4.123 1.00 1.00 H new ATOM 0 HB3 GLN A 25 28.617 -20.603 -5.304 1.00 1.00 H new ATOM 0 HG2 GLN A 25 29.951 -18.781 -4.818 1.00 1.00 H new ATOM 0 HG3 GLN A 25 28.597 -17.670 -4.876 1.00 1.00 H new ATOM 0 HE21 GLN A 25 28.922 -16.522 -2.911 1.00 1.00 H new ATOM 0 HE22 GLN A 25 28.919 -17.310 -1.330 1.00 1.00 H new ATOM 381 N ASN A 26 24.912 -18.218 -6.151 1.00 1.00 N ATOM 382 CA ASN A 26 23.834 -17.360 -5.664 1.00 1.00 C ATOM 383 C ASN A 26 22.488 -17.841 -6.196 1.00 1.00 C ATOM 384 O ASN A 26 22.003 -17.365 -7.221 1.00 1.00 O ATOM 385 CB ASN A 26 24.074 -15.906 -6.086 1.00 1.00 C ATOM 386 CG ASN A 26 24.039 -15.779 -7.604 1.00 1.00 C ATOM 387 OD1 ASN A 26 25.120 -16.015 -8.292 1.00 1.00 O flip ATOM 388 ND2 ASN A 26 22.999 -15.454 -8.179 1.00 1.00 N flip ATOM 0 H ASN A 26 24.707 -18.705 -7.023 1.00 1.00 H new ATOM 0 HA ASN A 26 23.821 -17.412 -4.575 1.00 1.00 H new ATOM 0 HB2 ASN A 26 23.314 -15.262 -5.644 1.00 1.00 H new ATOM 0 HB3 ASN A 26 25.038 -15.566 -5.709 1.00 1.00 H new ATOM 0 HD21 ASN A 26 22.154 -15.270 -7.639 1.00 1.00 H new ATOM 0 HD22 ASN A 26 22.983 -15.369 -9.195 1.00 1.00 H new ATOM 395 N LYS A 27 21.898 -18.797 -5.491 1.00 1.00 N ATOM 396 CA LYS A 27 20.607 -19.352 -5.900 1.00 1.00 C ATOM 397 C LYS A 27 19.504 -18.290 -5.816 1.00 1.00 C ATOM 398 O LYS A 27 18.563 -18.309 -6.610 1.00 1.00 O ATOM 399 CB LYS A 27 20.227 -20.578 -5.037 1.00 1.00 C ATOM 400 CG LYS A 27 18.994 -21.276 -5.621 1.00 1.00 C ATOM 401 CD LYS A 27 18.458 -22.289 -4.602 1.00 1.00 C ATOM 402 CE LYS A 27 19.562 -23.286 -4.211 1.00 1.00 C ATOM 403 NZ LYS A 27 20.344 -22.731 -3.070 1.00 1.00 N ATOM 0 H LYS A 27 22.286 -19.204 -4.640 1.00 1.00 H new ATOM 0 HA LYS A 27 20.703 -19.676 -6.936 1.00 1.00 H new ATOM 0 HB2 LYS A 27 21.063 -21.276 -4.996 1.00 1.00 H new ATOM 0 HB3 LYS A 27 20.024 -20.262 -4.014 1.00 1.00 H new ATOM 0 HG2 LYS A 27 18.225 -20.542 -5.861 1.00 1.00 H new ATOM 0 HG3 LYS A 27 19.254 -21.781 -6.551 1.00 1.00 H new ATOM 0 HD2 LYS A 27 18.098 -21.768 -3.715 1.00 1.00 H new ATOM 0 HD3 LYS A 27 17.607 -22.824 -5.024 1.00 1.00 H new ATOM 0 HE2 LYS A 27 19.122 -24.244 -3.934 1.00 1.00 H new ATOM 0 HE3 LYS A 27 20.219 -23.471 -5.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 21.340 -22.628 -3.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 19.960 -21.801 -2.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 20.278 -23.376 -2.257 1.00 1.00 H new ATOM 417 N GLU A 28 19.604 -17.378 -4.845 1.00 1.00 N ATOM 418 CA GLU A 28 18.590 -16.346 -4.675 1.00 1.00 C ATOM 419 C GLU A 28 19.080 -15.270 -3.705 1.00 1.00 C ATOM 420 O GLU A 28 18.290 -14.498 -3.163 1.00 1.00 O ATOM 421 CB GLU A 28 17.290 -16.984 -4.148 1.00 1.00 C ATOM 422 CG GLU A 28 17.621 -18.264 -3.361 1.00 1.00 C ATOM 423 CD GLU A 28 16.470 -18.620 -2.426 1.00 1.00 C ATOM 424 OE1 GLU A 28 16.309 -17.936 -1.428 1.00 1.00 O ATOM 425 OE2 GLU A 28 15.767 -19.572 -2.722 1.00 1.00 O ATOM 0 H GLU A 28 20.370 -17.337 -4.173 1.00 1.00 H new ATOM 0 HA GLU A 28 18.396 -15.876 -5.639 1.00 1.00 H new ATOM 0 HB2 GLU A 28 16.761 -16.278 -3.507 1.00 1.00 H new ATOM 0 HB3 GLU A 28 16.626 -17.219 -4.980 1.00 1.00 H new ATOM 0 HG2 GLU A 28 17.806 -19.087 -4.052 1.00 1.00 H new ATOM 0 HG3 GLU A 28 18.535 -18.120 -2.785 1.00 1.00 H new ATOM 432 N ARG A 29 20.390 -15.232 -3.500 1.00 1.00 N ATOM 433 CA ARG A 29 21.011 -14.252 -2.595 1.00 1.00 C ATOM 434 C ARG A 29 21.796 -13.214 -3.412 1.00 1.00 C ATOM 435 O ARG A 29 22.140 -13.458 -4.569 1.00 1.00 O ATOM 436 CB ARG A 29 21.952 -14.959 -1.573 1.00 1.00 C ATOM 437 CG ARG A 29 22.249 -16.407 -2.002 1.00 1.00 C ATOM 438 CD ARG A 29 21.116 -17.331 -1.539 1.00 1.00 C ATOM 439 NE ARG A 29 21.195 -18.616 -2.228 1.00 1.00 N ATOM 440 CZ ARG A 29 22.027 -19.570 -1.816 1.00 1.00 C ATOM 441 NH1 ARG A 29 22.789 -19.366 -0.775 1.00 1.00 N ATOM 442 NH2 ARG A 29 22.078 -20.709 -2.449 1.00 1.00 N ATOM 0 H ARG A 29 21.052 -15.867 -3.946 1.00 1.00 H new ATOM 0 HA ARG A 29 20.223 -13.747 -2.036 1.00 1.00 H new ATOM 0 HB2 ARG A 29 22.886 -14.403 -1.489 1.00 1.00 H new ATOM 0 HB3 ARG A 29 21.489 -14.957 -0.586 1.00 1.00 H new ATOM 0 HG2 ARG A 29 22.354 -16.460 -3.086 1.00 1.00 H new ATOM 0 HG3 ARG A 29 23.196 -16.735 -1.574 1.00 1.00 H new ATOM 0 HD2 ARG A 29 21.180 -17.484 -0.462 1.00 1.00 H new ATOM 0 HD3 ARG A 29 20.152 -16.863 -1.738 1.00 1.00 H new ATOM 0 HE ARG A 29 20.602 -18.786 -3.040 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.746 -18.476 -0.278 1.00 1.00 H new ATOM 0 HH12 ARG A 29 23.427 -20.097 -0.459 1.00 1.00 H new ATOM 0 HH21 ARG A 29 21.480 -20.869 -3.260 1.00 1.00 H new ATOM 0 HH22 ARG A 29 22.716 -21.440 -2.133 1.00 1.00 H new ATOM 456 N PRO A 30 22.076 -12.066 -2.837 1.00 1.00 N ATOM 457 CA PRO A 30 22.831 -10.974 -3.532 1.00 1.00 C ATOM 458 C PRO A 30 24.105 -11.498 -4.208 1.00 1.00 C ATOM 459 O PRO A 30 24.504 -12.640 -3.985 1.00 1.00 O ATOM 460 CB PRO A 30 23.157 -9.961 -2.403 1.00 1.00 C ATOM 461 CG PRO A 30 22.767 -10.632 -1.115 1.00 1.00 C ATOM 462 CD PRO A 30 21.707 -11.671 -1.469 1.00 1.00 C ATOM 0 HA PRO A 30 22.254 -10.525 -4.340 1.00 1.00 H new ATOM 0 HB2 PRO A 30 24.216 -9.705 -2.404 1.00 1.00 H new ATOM 0 HB3 PRO A 30 22.604 -9.032 -2.541 1.00 1.00 H new ATOM 0 HG2 PRO A 30 23.631 -11.104 -0.647 1.00 1.00 H new ATOM 0 HG3 PRO A 30 22.375 -9.906 -0.403 1.00 1.00 H new ATOM 0 HD2 PRO A 30 21.728 -12.519 -0.784 1.00 1.00 H new ATOM 0 HD3 PRO A 30 20.701 -11.252 -1.427 1.00 1.00 H new ATOM 470 N PRO A 31 24.728 -10.688 -5.034 1.00 1.00 N ATOM 471 CA PRO A 31 25.972 -11.072 -5.760 1.00 1.00 C ATOM 472 C PRO A 31 26.917 -11.911 -4.890 1.00 1.00 C ATOM 473 O PRO A 31 26.730 -11.998 -3.677 1.00 1.00 O ATOM 474 CB PRO A 31 26.598 -9.722 -6.118 1.00 1.00 C ATOM 475 CG PRO A 31 25.439 -8.783 -6.274 1.00 1.00 C ATOM 476 CD PRO A 31 24.308 -9.315 -5.373 1.00 1.00 C ATOM 0 HA PRO A 31 25.770 -11.699 -6.628 1.00 1.00 H new ATOM 0 HB2 PRO A 31 27.278 -9.383 -5.336 1.00 1.00 H new ATOM 0 HB3 PRO A 31 27.178 -9.788 -7.038 1.00 1.00 H new ATOM 0 HG2 PRO A 31 25.720 -7.771 -5.984 1.00 1.00 H new ATOM 0 HG3 PRO A 31 25.116 -8.738 -7.314 1.00 1.00 H new ATOM 0 HD2 PRO A 31 24.190 -8.703 -4.479 1.00 1.00 H new ATOM 0 HD3 PRO A 31 23.350 -9.309 -5.892 1.00 1.00 H new ATOM 484 N PRO A 32 27.932 -12.518 -5.467 1.00 1.00 N ATOM 485 CA PRO A 32 28.901 -13.348 -4.684 1.00 1.00 C ATOM 486 C PRO A 32 29.592 -12.537 -3.587 1.00 1.00 C ATOM 487 O PRO A 32 30.029 -11.412 -3.822 1.00 1.00 O ATOM 488 CB PRO A 32 29.918 -13.831 -5.741 1.00 1.00 C ATOM 489 CG PRO A 32 29.215 -13.687 -7.053 1.00 1.00 C ATOM 490 CD PRO A 32 28.283 -12.490 -6.901 1.00 1.00 C ATOM 0 HA PRO A 32 28.409 -14.169 -4.163 1.00 1.00 H new ATOM 0 HB2 PRO A 32 30.829 -13.233 -5.714 1.00 1.00 H new ATOM 0 HB3 PRO A 32 30.211 -14.866 -5.562 1.00 1.00 H new ATOM 0 HG2 PRO A 32 29.928 -13.526 -7.862 1.00 1.00 H new ATOM 0 HG3 PRO A 32 28.654 -14.590 -7.296 1.00 1.00 H new ATOM 0 HD2 PRO A 32 28.776 -11.558 -7.177 1.00 1.00 H new ATOM 0 HD3 PRO A 32 27.400 -12.583 -7.534 1.00 1.00 H new ATOM 498 N VAL A 33 29.696 -13.125 -2.396 1.00 1.00 N ATOM 499 CA VAL A 33 30.346 -12.459 -1.267 1.00 1.00 C ATOM 500 C VAL A 33 30.897 -13.500 -0.292 1.00 1.00 C ATOM 501 O VAL A 33 30.372 -13.680 0.805 1.00 1.00 O ATOM 502 CB VAL A 33 29.349 -11.538 -0.539 1.00 1.00 C ATOM 503 CG1 VAL A 33 30.022 -10.891 0.691 1.00 1.00 C ATOM 504 CG2 VAL A 33 28.875 -10.434 -1.495 1.00 1.00 C ATOM 0 H VAL A 33 29.340 -14.058 -2.188 1.00 1.00 H new ATOM 0 HA VAL A 33 31.169 -11.854 -1.648 1.00 1.00 H new ATOM 0 HB VAL A 33 28.497 -12.132 -0.210 1.00 1.00 H new ATOM 0 HG11 VAL A 33 29.307 -10.242 1.197 1.00 1.00 H new ATOM 0 HG12 VAL A 33 30.353 -11.671 1.377 1.00 1.00 H new ATOM 0 HG13 VAL A 33 30.881 -10.303 0.368 1.00 1.00 H new ATOM 0 HG21 VAL A 33 28.170 -9.783 -0.978 1.00 1.00 H new ATOM 0 HG22 VAL A 33 29.732 -9.848 -1.828 1.00 1.00 H new ATOM 0 HG23 VAL A 33 28.386 -10.885 -2.359 1.00 1.00 H new ATOM 514 N PRO A 34 31.941 -14.189 -0.673 1.00 1.00 N ATOM 515 CA PRO A 34 32.580 -15.232 0.186 1.00 1.00 C ATOM 516 C PRO A 34 33.180 -14.631 1.459 1.00 1.00 C ATOM 517 O PRO A 34 33.669 -13.503 1.452 1.00 1.00 O ATOM 518 CB PRO A 34 33.674 -15.848 -0.718 1.00 1.00 C ATOM 519 CG PRO A 34 33.346 -15.398 -2.110 1.00 1.00 C ATOM 520 CD PRO A 34 32.631 -14.057 -1.963 1.00 1.00 C ATOM 0 HA PRO A 34 31.861 -15.973 0.536 1.00 1.00 H new ATOM 0 HB2 PRO A 34 34.666 -15.509 -0.420 1.00 1.00 H new ATOM 0 HB3 PRO A 34 33.674 -16.936 -0.647 1.00 1.00 H new ATOM 0 HG2 PRO A 34 34.250 -15.294 -2.709 1.00 1.00 H new ATOM 0 HG3 PRO A 34 32.711 -16.125 -2.615 1.00 1.00 H new ATOM 0 HD2 PRO A 34 33.333 -13.223 -1.961 1.00 1.00 H new ATOM 0 HD3 PRO A 34 31.930 -13.882 -2.779 1.00 1.00 H new ATOM 528 N ASN A 35 33.147 -15.398 2.549 1.00 1.00 N ATOM 529 CA ASN A 35 33.701 -14.936 3.826 1.00 1.00 C ATOM 530 C ASN A 35 35.149 -15.414 3.983 1.00 1.00 C ATOM 531 O ASN A 35 36.015 -14.662 4.429 1.00 1.00 O ATOM 532 CB ASN A 35 32.846 -15.451 5.012 1.00 1.00 C ATOM 533 CG ASN A 35 31.514 -16.007 4.514 1.00 1.00 C ATOM 534 OD1 ASN A 35 31.217 -17.184 4.721 1.00 1.00 O ATOM 535 ND2 ASN A 35 30.694 -15.228 3.864 1.00 1.00 N ATOM 0 H ASN A 35 32.746 -16.336 2.576 1.00 1.00 H new ATOM 0 HA ASN A 35 33.684 -13.846 3.830 1.00 1.00 H new ATOM 0 HB2 ASN A 35 33.391 -16.226 5.550 1.00 1.00 H new ATOM 0 HB3 ASN A 35 32.666 -14.639 5.717 1.00 1.00 H new ATOM 0 HD21 ASN A 35 29.804 -15.593 3.526 1.00 1.00 H new ATOM 0 HD22 ASN A 35 30.943 -14.254 3.694 1.00 1.00 H new ATOM 542 N PRO A 36 35.419 -16.649 3.635 1.00 1.00 N ATOM 543 CA PRO A 36 36.786 -17.238 3.749 1.00 1.00 C ATOM 544 C PRO A 36 37.808 -16.480 2.905 1.00 1.00 C ATOM 545 O PRO A 36 39.012 -16.576 3.139 1.00 1.00 O ATOM 546 CB PRO A 36 36.611 -18.697 3.264 1.00 1.00 C ATOM 547 CG PRO A 36 35.140 -18.965 3.354 1.00 1.00 C ATOM 548 CD PRO A 36 34.457 -17.624 3.098 1.00 1.00 C ATOM 0 HA PRO A 36 37.174 -17.182 4.766 1.00 1.00 H new ATOM 0 HB2 PRO A 36 36.972 -18.819 2.243 1.00 1.00 H new ATOM 0 HB3 PRO A 36 37.177 -19.390 3.887 1.00 1.00 H new ATOM 0 HG2 PRO A 36 34.832 -19.708 2.618 1.00 1.00 H new ATOM 0 HG3 PRO A 36 34.873 -19.359 4.335 1.00 1.00 H new ATOM 0 HD2 PRO A 36 34.271 -17.463 2.036 1.00 1.00 H new ATOM 0 HD3 PRO A 36 33.494 -17.560 3.604 1.00 1.00 H new ATOM 556 N ASP A 37 37.324 -15.725 1.925 1.00 1.00 N ATOM 557 CA ASP A 37 38.218 -14.961 1.065 1.00 1.00 C ATOM 558 C ASP A 37 38.749 -13.739 1.802 1.00 1.00 C ATOM 559 O ASP A 37 39.596 -13.011 1.283 1.00 1.00 O ATOM 560 CB ASP A 37 37.484 -14.515 -0.203 1.00 1.00 C ATOM 561 CG ASP A 37 36.332 -13.584 0.161 1.00 1.00 C ATOM 562 OD1 ASP A 37 36.093 -13.402 1.342 1.00 1.00 O ATOM 563 OD2 ASP A 37 35.705 -13.068 -0.751 1.00 1.00 O ATOM 0 H ASP A 37 36.332 -15.626 1.709 1.00 1.00 H new ATOM 0 HA ASP A 37 39.055 -15.602 0.788 1.00 1.00 H new ATOM 0 HB2 ASP A 37 38.176 -14.006 -0.874 1.00 1.00 H new ATOM 0 HB3 ASP A 37 37.104 -15.385 -0.738 1.00 1.00 H new ATOM 568 N TYR A 38 38.248 -13.513 3.019 1.00 1.00 N ATOM 569 CA TYR A 38 38.686 -12.366 3.816 1.00 1.00 C ATOM 570 C TYR A 38 38.709 -12.723 5.301 1.00 1.00 C ATOM 571 O TYR A 38 38.021 -12.102 6.111 1.00 1.00 O ATOM 572 CB TYR A 38 37.742 -11.172 3.568 1.00 1.00 C ATOM 573 CG TYR A 38 38.499 -9.870 3.711 1.00 1.00 C ATOM 574 CD1 TYR A 38 39.465 -9.524 2.761 1.00 1.00 C ATOM 575 CD2 TYR A 38 38.240 -9.015 4.790 1.00 1.00 C ATOM 576 CE1 TYR A 38 40.173 -8.325 2.885 1.00 1.00 C ATOM 577 CE2 TYR A 38 38.947 -7.813 4.915 1.00 1.00 C ATOM 578 CZ TYR A 38 39.915 -7.468 3.964 1.00 1.00 C ATOM 579 OH TYR A 38 40.614 -6.285 4.089 1.00 1.00 O ATOM 0 H TYR A 38 37.547 -14.102 3.469 1.00 1.00 H new ATOM 0 HA TYR A 38 39.697 -12.092 3.515 1.00 1.00 H new ATOM 0 HB2 TYR A 38 37.309 -11.242 2.570 1.00 1.00 H new ATOM 0 HB3 TYR A 38 36.914 -11.200 4.277 1.00 1.00 H new ATOM 0 HD1 TYR A 38 39.664 -10.184 1.930 1.00 1.00 H new ATOM 0 HD2 TYR A 38 37.495 -9.283 5.525 1.00 1.00 H new ATOM 0 HE1 TYR A 38 40.918 -8.059 2.150 1.00 1.00 H new ATOM 0 HE2 TYR A 38 38.746 -7.152 5.745 1.00 1.00 H new ATOM 0 HH TYR A 38 40.312 -5.810 4.891 1.00 1.00 H new ATOM 589 N GLU A 39 39.511 -13.726 5.657 1.00 1.00 N ATOM 590 CA GLU A 39 39.621 -14.154 7.055 1.00 1.00 C ATOM 591 C GLU A 39 41.090 -14.322 7.453 1.00 1.00 C ATOM 592 O GLU A 39 41.490 -15.380 7.939 1.00 1.00 O ATOM 593 CB GLU A 39 38.880 -15.484 7.254 1.00 1.00 C ATOM 594 CG GLU A 39 38.599 -15.702 8.745 1.00 1.00 C ATOM 595 CD GLU A 39 37.516 -14.737 9.219 1.00 1.00 C ATOM 596 OE1 GLU A 39 36.433 -14.773 8.659 1.00 1.00 O ATOM 597 OE2 GLU A 39 37.787 -13.977 10.134 1.00 1.00 O ATOM 0 H GLU A 39 40.090 -14.255 5.005 1.00 1.00 H new ATOM 0 HA GLU A 39 39.171 -13.388 7.687 1.00 1.00 H new ATOM 0 HB2 GLU A 39 37.944 -15.477 6.695 1.00 1.00 H new ATOM 0 HB3 GLU A 39 39.479 -16.307 6.863 1.00 1.00 H new ATOM 0 HG2 GLU A 39 38.282 -16.731 8.917 1.00 1.00 H new ATOM 0 HG3 GLU A 39 39.511 -15.549 9.322 1.00 1.00 H new ATOM 604 N PRO A 40 41.894 -13.307 7.248 1.00 1.00 N ATOM 605 CA PRO A 40 43.352 -13.347 7.588 1.00 1.00 C ATOM 606 C PRO A 40 43.597 -13.351 9.097 1.00 1.00 C ATOM 607 O PRO A 40 44.671 -12.973 9.565 1.00 1.00 O ATOM 608 CB PRO A 40 43.910 -12.074 6.932 1.00 1.00 C ATOM 609 CG PRO A 40 42.747 -11.135 6.853 1.00 1.00 C ATOM 610 CD PRO A 40 41.502 -12.009 6.669 1.00 1.00 C ATOM 0 HA PRO A 40 43.833 -14.258 7.232 1.00 1.00 H new ATOM 0 HB2 PRO A 40 44.721 -11.649 7.523 1.00 1.00 H new ATOM 0 HB3 PRO A 40 44.314 -12.285 5.942 1.00 1.00 H new ATOM 0 HG2 PRO A 40 42.670 -10.534 7.759 1.00 1.00 H new ATOM 0 HG3 PRO A 40 42.862 -10.442 6.020 1.00 1.00 H new ATOM 0 HD2 PRO A 40 40.638 -11.587 7.182 1.00 1.00 H new ATOM 0 HD3 PRO A 40 41.233 -12.105 5.617 1.00 1.00 H new ATOM 618 N ILE A 41 42.587 -13.770 9.844 1.00 1.00 N ATOM 619 CA ILE A 41 42.668 -13.819 11.303 1.00 1.00 C ATOM 620 C ILE A 41 43.095 -15.201 11.780 1.00 1.00 C ATOM 621 O ILE A 41 43.266 -15.433 12.976 1.00 1.00 O ATOM 622 CB ILE A 41 41.302 -13.461 11.905 1.00 1.00 C ATOM 623 CG1 ILE A 41 40.949 -12.008 11.538 1.00 1.00 C ATOM 624 CG2 ILE A 41 41.346 -13.609 13.433 1.00 1.00 C ATOM 625 CD1 ILE A 41 40.649 -11.881 10.032 1.00 1.00 C ATOM 0 H ILE A 41 41.694 -14.084 9.464 1.00 1.00 H new ATOM 0 HA ILE A 41 43.416 -13.098 11.632 1.00 1.00 H new ATOM 0 HB ILE A 41 40.545 -14.135 11.505 1.00 1.00 H new ATOM 0 HG12 ILE A 41 40.083 -11.683 12.115 1.00 1.00 H new ATOM 0 HG13 ILE A 41 41.775 -11.350 11.805 1.00 1.00 H new ATOM 0 HG21 ILE A 41 40.373 -13.353 13.852 1.00 1.00 H new ATOM 0 HG22 ILE A 41 41.593 -14.639 13.692 1.00 1.00 H new ATOM 0 HG23 ILE A 41 42.104 -12.941 13.842 1.00 1.00 H new ATOM 0 HD11 ILE A 41 40.402 -10.846 9.796 1.00 1.00 H new ATOM 0 HD12 ILE A 41 41.526 -12.184 9.460 1.00 1.00 H new ATOM 0 HD13 ILE A 41 39.807 -12.523 9.773 1.00 1.00 H new ATOM 637 N ARG A 42 43.272 -16.113 10.836 1.00 1.00 N ATOM 638 CA ARG A 42 43.684 -17.483 11.156 1.00 1.00 C ATOM 639 C ARG A 42 45.128 -17.707 10.716 1.00 1.00 C ATOM 640 O ARG A 42 45.381 -18.111 9.581 1.00 1.00 O ATOM 641 CB ARG A 42 42.769 -18.486 10.437 1.00 1.00 C ATOM 642 CG ARG A 42 41.308 -18.017 10.503 1.00 1.00 C ATOM 643 CD ARG A 42 40.824 -18.003 11.954 1.00 1.00 C ATOM 644 NE ARG A 42 41.071 -19.294 12.586 1.00 1.00 N ATOM 645 CZ ARG A 42 40.625 -19.554 13.809 1.00 1.00 C ATOM 646 NH1 ARG A 42 39.971 -18.639 14.473 1.00 1.00 N ATOM 647 NH2 ARG A 42 40.842 -20.721 14.349 1.00 1.00 N ATOM 0 H ARG A 42 43.138 -15.935 9.841 1.00 1.00 H new ATOM 0 HA ARG A 42 43.607 -17.632 12.233 1.00 1.00 H new ATOM 0 HB2 ARG A 42 43.078 -18.590 9.397 1.00 1.00 H new ATOM 0 HB3 ARG A 42 42.863 -19.470 10.897 1.00 1.00 H new ATOM 0 HG2 ARG A 42 41.219 -17.020 10.072 1.00 1.00 H new ATOM 0 HG3 ARG A 42 40.679 -18.679 9.908 1.00 1.00 H new ATOM 0 HD2 ARG A 42 41.337 -17.216 12.507 1.00 1.00 H new ATOM 0 HD3 ARG A 42 39.759 -17.773 11.986 1.00 1.00 H new ATOM 0 HE ARG A 42 41.595 -20.008 12.080 1.00 1.00 H new ATOM 0 HH11 ARG A 42 39.803 -17.725 14.052 1.00 1.00 H new ATOM 0 HH12 ARG A 42 39.628 -18.838 15.413 1.00 1.00 H new ATOM 0 HH21 ARG A 42 41.355 -21.435 13.832 1.00 1.00 H new ATOM 0 HH22 ARG A 42 40.499 -20.920 15.289 1.00 1.00 H new ATOM 661 N LYS A 43 46.076 -17.428 11.612 1.00 1.00 N ATOM 662 CA LYS A 43 47.485 -17.592 11.289 1.00 1.00 C ATOM 663 C LYS A 43 48.366 -17.451 12.552 1.00 1.00 C ATOM 664 O LYS A 43 48.113 -16.606 13.410 1.00 1.00 O ATOM 665 CB LYS A 43 47.867 -16.560 10.200 1.00 1.00 C ATOM 666 CG LYS A 43 48.219 -15.191 10.810 1.00 1.00 C ATOM 667 CD LYS A 43 46.993 -14.601 11.510 1.00 1.00 C ATOM 668 CE LYS A 43 47.338 -13.228 12.084 1.00 1.00 C ATOM 669 NZ LYS A 43 48.304 -13.391 13.207 1.00 1.00 N ATOM 0 H LYS A 43 45.892 -17.091 12.557 1.00 1.00 H new ATOM 0 HA LYS A 43 47.660 -18.596 10.902 1.00 1.00 H new ATOM 0 HB2 LYS A 43 48.717 -16.933 9.628 1.00 1.00 H new ATOM 0 HB3 LYS A 43 47.038 -16.445 9.501 1.00 1.00 H new ATOM 0 HG2 LYS A 43 49.037 -15.300 11.522 1.00 1.00 H new ATOM 0 HG3 LYS A 43 48.564 -14.513 10.029 1.00 1.00 H new ATOM 0 HD2 LYS A 43 46.167 -14.514 10.805 1.00 1.00 H new ATOM 0 HD3 LYS A 43 46.662 -15.266 12.307 1.00 1.00 H new ATOM 0 HE2 LYS A 43 47.768 -12.595 11.308 1.00 1.00 H new ATOM 0 HE3 LYS A 43 46.434 -12.731 12.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 47.852 -13.104 14.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 48.596 -14.387 13.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 49.140 -12.796 13.035 1.00 1.00 H new ATOM 683 N GLY A 44 49.395 -18.287 12.670 1.00 1.00 N ATOM 684 CA GLY A 44 50.288 -18.232 13.839 1.00 1.00 C ATOM 685 C GLY A 44 51.117 -16.941 13.887 1.00 1.00 C ATOM 686 O GLY A 44 51.314 -16.367 14.959 1.00 1.00 O ATOM 0 H GLY A 44 49.634 -19.003 11.984 1.00 1.00 H new ATOM 0 HA2 GLY A 44 49.694 -18.312 14.750 1.00 1.00 H new ATOM 0 HA3 GLY A 44 50.960 -19.090 13.820 1.00 1.00 H new ATOM 690 N GLN A 45 51.615 -16.493 12.735 1.00 1.00 N ATOM 691 CA GLN A 45 52.436 -15.273 12.680 1.00 1.00 C ATOM 692 C GLN A 45 53.398 -15.213 13.858 1.00 1.00 C ATOM 693 O GLN A 45 53.122 -14.584 14.879 1.00 1.00 O ATOM 694 CB GLN A 45 51.536 -14.040 12.684 1.00 1.00 C ATOM 695 CG GLN A 45 52.377 -12.762 12.651 1.00 1.00 C ATOM 696 CD GLN A 45 51.458 -11.558 12.497 1.00 1.00 C ATOM 697 OE1 GLN A 45 50.420 -11.446 13.280 1.00 1.00 O flip ATOM 698 NE2 GLN A 45 51.683 -10.703 11.641 1.00 1.00 N flip ATOM 0 H GLN A 45 51.469 -16.947 11.833 1.00 1.00 H new ATOM 0 HA GLN A 45 53.019 -15.293 11.759 1.00 1.00 H new ATOM 0 HB2 GLN A 45 50.870 -14.066 11.822 1.00 1.00 H new ATOM 0 HB3 GLN A 45 50.906 -14.045 13.574 1.00 1.00 H new ATOM 0 HG2 GLN A 45 52.961 -12.673 13.567 1.00 1.00 H new ATOM 0 HG3 GLN A 45 53.086 -12.801 11.824 1.00 1.00 H new ATOM 0 HE21 GLN A 45 52.495 -10.794 11.031 1.00 1.00 H new ATOM 0 HE22 GLN A 45 51.057 -9.904 11.542 1.00 1.00 H new ATOM 707 N ARG A 46 54.529 -15.875 13.696 1.00 1.00 N ATOM 708 CA ARG A 46 55.551 -15.901 14.732 1.00 1.00 C ATOM 709 C ARG A 46 56.825 -16.551 14.209 1.00 1.00 C ATOM 710 O ARG A 46 57.917 -16.298 14.720 1.00 1.00 O ATOM 711 CB ARG A 46 55.046 -16.644 15.980 1.00 1.00 C ATOM 712 CG ARG A 46 54.462 -18.030 15.609 1.00 1.00 C ATOM 713 CD ARG A 46 55.538 -19.121 15.714 1.00 1.00 C ATOM 714 NE ARG A 46 54.931 -20.432 15.523 1.00 1.00 N ATOM 715 CZ ARG A 46 54.521 -20.831 14.325 1.00 1.00 C ATOM 716 NH1 ARG A 46 54.635 -20.034 13.297 1.00 1.00 N ATOM 717 NH2 ARG A 46 53.999 -22.018 14.180 1.00 1.00 N ATOM 0 H ARG A 46 54.765 -16.403 12.856 1.00 1.00 H new ATOM 0 HA ARG A 46 55.775 -14.872 15.013 1.00 1.00 H new ATOM 0 HB2 ARG A 46 55.865 -16.769 16.688 1.00 1.00 H new ATOM 0 HB3 ARG A 46 54.283 -16.046 16.478 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.630 -18.268 16.272 1.00 1.00 H new ATOM 0 HG3 ARG A 46 54.064 -18.002 14.595 1.00 1.00 H new ATOM 0 HD2 ARG A 46 56.311 -18.955 14.964 1.00 1.00 H new ATOM 0 HD3 ARG A 46 56.024 -19.073 16.689 1.00 1.00 H new ATOM 0 HE ARG A 46 54.819 -21.054 16.324 1.00 1.00 H new ATOM 0 HH11 ARG A 46 55.039 -19.105 13.414 1.00 1.00 H new ATOM 0 HH12 ARG A 46 54.320 -20.341 12.377 1.00 1.00 H new ATOM 0 HH21 ARG A 46 53.907 -22.637 14.986 1.00 1.00 H new ATOM 0 HH22 ARG A 46 53.683 -22.327 13.261 1.00 1.00 H new ATOM 731 N ASP A 47 56.682 -17.388 13.185 1.00 1.00 N ATOM 732 CA ASP A 47 57.834 -18.066 12.603 1.00 1.00 C ATOM 733 C ASP A 47 58.643 -17.101 11.752 1.00 1.00 C ATOM 734 O ASP A 47 59.745 -17.421 11.307 1.00 1.00 O ATOM 735 CB ASP A 47 57.380 -19.240 11.737 1.00 1.00 C ATOM 736 CG ASP A 47 56.439 -18.752 10.641 1.00 1.00 C ATOM 737 OD1 ASP A 47 56.044 -17.599 10.695 1.00 1.00 O ATOM 738 OD2 ASP A 47 56.133 -19.537 9.759 1.00 1.00 O ATOM 0 H ASP A 47 55.789 -17.611 12.745 1.00 1.00 H new ATOM 0 HA ASP A 47 58.456 -18.437 13.418 1.00 1.00 H new ATOM 0 HB2 ASP A 47 58.246 -19.729 11.292 1.00 1.00 H new ATOM 0 HB3 ASP A 47 56.876 -19.984 12.355 1.00 1.00 H new ATOM 743 N LEU A 48 58.090 -15.916 11.533 1.00 1.00 N ATOM 744 CA LEU A 48 58.779 -14.907 10.733 1.00 1.00 C ATOM 745 C LEU A 48 60.048 -14.448 11.450 1.00 1.00 C ATOM 746 O LEU A 48 60.830 -13.672 10.907 1.00 1.00 O ATOM 747 CB LEU A 48 57.858 -13.699 10.474 1.00 1.00 C ATOM 748 CG LEU A 48 58.361 -12.896 9.250 1.00 1.00 C ATOM 749 CD1 LEU A 48 57.800 -13.495 7.950 1.00 1.00 C ATOM 750 CD2 LEU A 48 57.911 -11.433 9.368 1.00 1.00 C ATOM 0 H LEU A 48 57.179 -15.630 11.891 1.00 1.00 H new ATOM 0 HA LEU A 48 59.049 -15.351 9.775 1.00 1.00 H new ATOM 0 HB2 LEU A 48 56.838 -14.041 10.299 1.00 1.00 H new ATOM 0 HB3 LEU A 48 57.833 -13.057 11.354 1.00 1.00 H new ATOM 0 HG LEU A 48 59.450 -12.945 9.226 1.00 1.00 H new ATOM 0 HD11 LEU A 48 58.163 -12.920 7.098 1.00 1.00 H new ATOM 0 HD12 LEU A 48 58.128 -14.530 7.855 1.00 1.00 H new ATOM 0 HD13 LEU A 48 56.711 -13.461 7.974 1.00 1.00 H new ATOM 0 HD21 LEU A 48 58.267 -10.872 8.504 1.00 1.00 H new ATOM 0 HD22 LEU A 48 56.823 -11.389 9.405 1.00 1.00 H new ATOM 0 HD23 LEU A 48 58.323 -10.998 10.278 1.00 1.00 H new ATOM 762 N TYR A 49 60.245 -14.931 12.679 1.00 1.00 N ATOM 763 CA TYR A 49 61.430 -14.557 13.466 1.00 1.00 C ATOM 764 C TYR A 49 62.367 -15.752 13.633 1.00 1.00 C ATOM 765 O TYR A 49 63.507 -15.598 14.071 1.00 1.00 O ATOM 766 CB TYR A 49 61.001 -14.038 14.849 1.00 1.00 C ATOM 767 CG TYR A 49 62.116 -13.219 15.460 1.00 1.00 C ATOM 768 CD1 TYR A 49 63.098 -13.836 16.243 1.00 1.00 C ATOM 769 CD2 TYR A 49 62.162 -11.837 15.241 1.00 1.00 C ATOM 770 CE1 TYR A 49 64.126 -13.071 16.809 1.00 1.00 C ATOM 771 CE2 TYR A 49 63.190 -11.072 15.805 1.00 1.00 C ATOM 772 CZ TYR A 49 64.172 -11.688 16.588 1.00 1.00 C ATOM 773 OH TYR A 49 65.184 -10.934 17.145 1.00 1.00 O ATOM 0 H TYR A 49 59.609 -15.575 13.150 1.00 1.00 H new ATOM 0 HA TYR A 49 61.961 -13.769 12.932 1.00 1.00 H new ATOM 0 HB2 TYR A 49 60.101 -13.431 14.756 1.00 1.00 H new ATOM 0 HB3 TYR A 49 60.754 -14.876 15.501 1.00 1.00 H new ATOM 0 HD1 TYR A 49 63.063 -14.902 16.411 1.00 1.00 H new ATOM 0 HD2 TYR A 49 61.404 -11.361 14.637 1.00 1.00 H new ATOM 0 HE1 TYR A 49 64.883 -13.547 17.415 1.00 1.00 H new ATOM 0 HE2 TYR A 49 63.225 -10.006 15.636 1.00 1.00 H new ATOM 0 HH TYR A 49 65.068 -9.994 16.893 1.00 1.00 H new ATOM 783 N SER A 50 61.883 -16.941 13.284 1.00 1.00 N ATOM 784 CA SER A 50 62.692 -18.153 13.402 1.00 1.00 C ATOM 785 C SER A 50 63.570 -18.342 12.168 1.00 1.00 C ATOM 786 O SER A 50 64.738 -18.717 12.276 1.00 1.00 O ATOM 787 CB SER A 50 61.786 -19.372 13.568 1.00 1.00 C ATOM 788 OG SER A 50 60.863 -19.424 12.489 1.00 1.00 O ATOM 0 H SER A 50 60.942 -17.092 12.920 1.00 1.00 H new ATOM 0 HA SER A 50 63.333 -18.049 14.278 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.384 -20.283 13.594 1.00 1.00 H new ATOM 0 HB3 SER A 50 61.251 -19.315 14.516 1.00 1.00 H new ATOM 0 HG SER A 50 60.807 -18.543 12.064 1.00 1.00 H new ATOM 794 N GLY A 51 62.994 -18.089 10.997 1.00 1.00 N ATOM 795 CA GLY A 51 63.735 -18.247 9.739 1.00 1.00 C ATOM 796 C GLY A 51 64.626 -17.041 9.469 1.00 1.00 C ATOM 797 O GLY A 51 65.433 -17.050 8.539 1.00 1.00 O ATOM 0 H GLY A 51 62.029 -17.777 10.887 1.00 1.00 H new ATOM 0 HA2 GLY A 51 64.344 -19.150 9.784 1.00 1.00 H new ATOM 0 HA3 GLY A 51 63.034 -18.376 8.915 1.00 1.00 H new ATOM 801 N LEU A 52 64.475 -16.003 10.286 1.00 1.00 N ATOM 802 CA LEU A 52 65.277 -14.790 10.121 1.00 1.00 C ATOM 803 C LEU A 52 66.608 -14.929 10.851 1.00 1.00 C ATOM 804 O LEU A 52 67.473 -14.064 10.738 1.00 1.00 O ATOM 805 CB LEU A 52 64.508 -13.554 10.633 1.00 1.00 C ATOM 806 CG LEU A 52 63.515 -13.054 9.559 1.00 1.00 C ATOM 807 CD1 LEU A 52 64.261 -12.342 8.409 1.00 1.00 C ATOM 808 CD2 LEU A 52 62.710 -14.236 8.991 1.00 1.00 C ATOM 0 H LEU A 52 63.813 -15.974 11.061 1.00 1.00 H new ATOM 0 HA LEU A 52 65.476 -14.653 9.058 1.00 1.00 H new ATOM 0 HB2 LEU A 52 63.969 -13.806 11.546 1.00 1.00 H new ATOM 0 HB3 LEU A 52 65.210 -12.760 10.886 1.00 1.00 H new ATOM 0 HG LEU A 52 62.836 -12.343 10.031 1.00 1.00 H new ATOM 0 HD11 LEU A 52 63.541 -11.999 7.666 1.00 1.00 H new ATOM 0 HD12 LEU A 52 64.809 -11.487 8.805 1.00 1.00 H new ATOM 0 HD13 LEU A 52 64.960 -13.037 7.944 1.00 1.00 H new ATOM 0 HD21 LEU A 52 62.014 -13.872 8.235 1.00 1.00 H new ATOM 0 HD22 LEU A 52 63.392 -14.957 8.539 1.00 1.00 H new ATOM 0 HD23 LEU A 52 62.154 -14.717 9.795 1.00 1.00 H new ATOM 820 N ASN A 53 66.777 -16.032 11.588 1.00 1.00 N ATOM 821 CA ASN A 53 68.032 -16.275 12.308 1.00 1.00 C ATOM 822 C ASN A 53 69.216 -15.854 11.454 1.00 1.00 C ATOM 823 O ASN A 53 70.268 -15.487 11.977 1.00 1.00 O ATOM 824 CB ASN A 53 68.168 -17.759 12.687 1.00 1.00 C ATOM 825 CG ASN A 53 67.866 -18.637 11.475 1.00 1.00 C ATOM 826 OD1 ASN A 53 66.727 -18.503 10.848 1.00 1.00 O flip ATOM 827 ND2 ASN A 53 68.690 -19.463 11.085 1.00 1.00 N flip ATOM 0 H ASN A 53 66.072 -16.761 11.701 1.00 1.00 H new ATOM 0 HA ASN A 53 68.018 -15.682 13.223 1.00 1.00 H new ATOM 0 HB2 ASN A 53 69.176 -17.959 13.049 1.00 1.00 H new ATOM 0 HB3 ASN A 53 67.483 -17.999 13.500 1.00 1.00 H new ATOM 0 HD21 ASN A 53 69.579 -19.567 11.575 1.00 1.00 H new ATOM 0 HD22 ASN A 53 68.485 -20.044 10.272 1.00 1.00 H new ATOM 834 N GLN A 54 69.034 -15.899 10.134 1.00 1.00 N ATOM 835 CA GLN A 54 70.099 -15.513 9.212 1.00 1.00 C ATOM 836 C GLN A 54 71.435 -16.093 9.671 1.00 1.00 C ATOM 837 O GLN A 54 72.490 -15.653 9.219 1.00 1.00 O ATOM 838 CB GLN A 54 70.198 -13.978 9.132 1.00 1.00 C ATOM 839 CG GLN A 54 70.751 -13.556 7.767 1.00 1.00 C ATOM 840 CD GLN A 54 69.698 -13.778 6.683 1.00 1.00 C ATOM 841 OE1 GLN A 54 68.483 -14.131 7.018 1.00 1.00 O flip ATOM 842 NE2 GLN A 54 69.989 -13.627 5.497 1.00 1.00 N flip ATOM 0 H GLN A 54 68.168 -16.196 9.684 1.00 1.00 H new ATOM 0 HA GLN A 54 69.863 -15.909 8.224 1.00 1.00 H new ATOM 0 HB2 GLN A 54 69.215 -13.534 9.288 1.00 1.00 H new ATOM 0 HB3 GLN A 54 70.845 -13.606 9.926 1.00 1.00 H new ATOM 0 HG2 GLN A 54 71.042 -12.506 7.793 1.00 1.00 H new ATOM 0 HG3 GLN A 54 71.648 -14.130 7.536 1.00 1.00 H new ATOM 0 HE21 GLN A 54 70.936 -13.352 5.235 1.00 1.00 H new ATOM 0 HE22 GLN A 54 69.284 -13.777 4.776 1.00 1.00 H new ATOM 851 N ARG A 55 71.366 -17.073 10.581 1.00 1.00 N ATOM 852 CA ARG A 55 72.568 -17.726 11.121 1.00 1.00 C ATOM 853 C ARG A 55 73.731 -16.743 11.238 1.00 1.00 C ATOM 854 O ARG A 55 74.421 -16.451 10.261 1.00 1.00 O ATOM 855 CB ARG A 55 72.975 -18.915 10.235 1.00 1.00 C ATOM 856 CG ARG A 55 72.674 -18.595 8.772 1.00 1.00 C ATOM 857 CD ARG A 55 73.141 -19.747 7.883 1.00 1.00 C ATOM 858 NE ARG A 55 74.592 -19.872 7.947 1.00 1.00 N ATOM 859 CZ ARG A 55 75.380 -19.078 7.228 1.00 1.00 C ATOM 860 NH1 ARG A 55 74.854 -18.162 6.462 1.00 1.00 N ATOM 861 NH2 ARG A 55 76.676 -19.211 7.292 1.00 1.00 N ATOM 0 H ARG A 55 70.490 -17.432 10.960 1.00 1.00 H new ATOM 0 HA ARG A 55 72.327 -18.088 12.120 1.00 1.00 H new ATOM 0 HB2 ARG A 55 74.037 -19.127 10.360 1.00 1.00 H new ATOM 0 HB3 ARG A 55 72.433 -19.810 10.540 1.00 1.00 H new ATOM 0 HG2 ARG A 55 71.605 -18.431 8.639 1.00 1.00 H new ATOM 0 HG3 ARG A 55 73.176 -17.672 8.481 1.00 1.00 H new ATOM 0 HD2 ARG A 55 72.673 -20.678 8.205 1.00 1.00 H new ATOM 0 HD3 ARG A 55 72.828 -19.572 6.854 1.00 1.00 H new ATOM 0 HE ARG A 55 75.009 -20.579 8.552 1.00 1.00 H new ATOM 0 HH11 ARG A 55 73.841 -18.056 6.416 1.00 1.00 H new ATOM 0 HH12 ARG A 55 75.456 -17.552 5.910 1.00 1.00 H new ATOM 0 HH21 ARG A 55 77.086 -19.925 7.894 1.00 1.00 H new ATOM 0 HH22 ARG A 55 77.279 -18.601 6.740 1.00 1.00 H new ATOM 875 N ALA A 56 73.947 -16.261 12.451 1.00 1.00 N ATOM 876 CA ALA A 56 75.037 -15.319 12.719 1.00 1.00 C ATOM 877 C ALA A 56 74.697 -13.907 12.231 1.00 1.00 C ATOM 878 O ALA A 56 75.469 -13.294 11.500 1.00 1.00 O ATOM 879 CB ALA A 56 76.331 -15.809 12.052 1.00 1.00 C ATOM 0 H ALA A 56 73.387 -16.502 13.269 1.00 1.00 H new ATOM 0 HA ALA A 56 75.179 -15.273 13.799 1.00 1.00 H new ATOM 0 HB1 ALA A 56 77.136 -15.103 12.256 1.00 1.00 H new ATOM 0 HB2 ALA A 56 76.597 -16.788 12.450 1.00 1.00 H new ATOM 0 HB3 ALA A 56 76.179 -15.884 10.975 1.00 1.00 H new ATOM 885 N VAL A 57 73.540 -13.418 12.670 1.00 1.00 N ATOM 886 CA VAL A 57 73.048 -12.075 12.336 1.00 1.00 C ATOM 887 C VAL A 57 71.533 -12.036 12.568 1.00 1.00 C ATOM 888 O VAL A 57 70.868 -12.977 12.168 1.00 1.00 O ATOM 889 CB VAL A 57 73.410 -11.682 10.867 1.00 1.00 C ATOM 890 CG1 VAL A 57 72.307 -10.798 10.243 1.00 1.00 C ATOM 891 CG2 VAL A 57 74.759 -10.897 10.815 1.00 1.00 C ATOM 892 OXT VAL A 57 71.067 -11.071 13.148 1.00 1.00 O ATOM 0 H VAL A 57 72.908 -13.944 13.274 1.00 1.00 H new ATOM 0 HA VAL A 57 73.533 -11.342 12.981 1.00 1.00 H new ATOM 0 HB VAL A 57 73.502 -12.609 10.301 1.00 1.00 H new ATOM 0 HG11 VAL A 57 72.583 -10.539 9.221 1.00 1.00 H new ATOM 0 HG12 VAL A 57 71.364 -11.344 10.236 1.00 1.00 H new ATOM 0 HG13 VAL A 57 72.195 -9.887 10.831 1.00 1.00 H new ATOM 0 HG21 VAL A 57 74.988 -10.635 9.782 1.00 1.00 H new ATOM 0 HG22 VAL A 57 74.674 -9.987 11.409 1.00 1.00 H new ATOM 0 HG23 VAL A 57 75.558 -11.520 11.217 1.00 1.00 H new TER 902 VAL A 57